2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide

C9H11F3N4O — CID 106896130

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1cccnn1)C(F)(F)F
InChIInChI=1S/C9H11F3N4O/c1-8(13,9(10,11)12)7(17)14-5-6-3-2-4-15-16-6/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyJTMSLZOLGXFIHA-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.37
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide (PubChem CID 106896130) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide
PubChem CID106896130
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1cccnn1)C(F)(F)F
InChIInChI=1S/C9H11F3N4O/c1-8(13,9(10,11)12)7(17)14-5-6-3-2-4-15-16-6/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyJTMSLZOLGXFIHA-UHFFFAOYSA-N
XLogP0.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide (CID 106896130) is 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide is CC(N)(C(=O)NCc1cccnn1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide?
The InChIKey is JTMSLZOLGXFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-8(13,9(10,11)12)7(17)14-5-6-3-2-4-15-16-6/h2-4H,5,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide has a molecular weight of 248.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(pyridazin-3-ylmethyl)propanamide is sourced from PubChem (CID 106896130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).